./iterations/neb0_image02_iter11.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.468184388824 0.239061998356 0.474755839605} O1 1 1
14 {} {0.328654033493 0.244728672553 0.560100527939} Si1 2 1
14 {} {0.602082713839 0.325782606674 0.433528958925} Si2 3 1
8 {} {0.557979027877 0.474313556013 0.37043657364} O2 4 1
8 {} {0.331524125645 0.377235109706 0.661273195718} O3 5 1
14 {} {0.270998937101 0.515846281166 0.720209080204} Si3 6 1
14 {} {0.517224223809 0.637109864 0.3784047085} Si4 7 1
1 {} {0.320453927047 0.123096547234 0.645014657099} H1 8 1
1 {} {0.213918796788 0.255996882768 0.466093736537} H2 9 1
1 {} {0.673019818053 0.245555580734 0.329138111154} H3 10 1
1 {} {0.687869194197 0.343968265337 0.554865279576} H4 11 1
1 {} {0.123130124388 0.493999879587 0.736408080032} H5 12 1
1 {} {0.342729337693 0.537288840788 0.849978026131} H6 13 1
1 {} {0.385604477906 0.704883658184 0.348601469162} H7 14 1
1 {} {0.600913368358 0.701621902261 0.273913605699} H8 15 1
1 {} {0.566130979829 0.685735300237 0.512782886921} H10 16 1
8 {} {0.28516405376 0.637563062209 0.615299909369} O 17 1
1 {} {0.334504613139 0.728729954674 0.600253345977} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end